Diffuse X-ray scattering from 4,4-dimethoxybenzil, C 16 H 14 O 4 : analysis via automatic refinement of a Monte Carlo model

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dc.contributor.authorWelberry, Thomas
dc.contributor.authorHeerdegen, Aidan
dc.date.accessioned2015-12-13T23:14:23Z
dc.date.available2015-12-13T23:14:23Z
dc.date.issued2003
dc.date.updated2015-12-12T08:38:33Z
dc.description.abstractA recently developed method for fitting a Monte Carlo computer-simulation model to observed single-crystal diffuse X-ray scattering has been used to study the diffuse scattering in 4,4′-dimethoxybenzil, C16H 14O4. A model involving only nine parameters,
dc.identifier.issn0108-7681
dc.identifier.urihttp://hdl.handle.net/1885/88581
dc.publisherMunksgaard International Publishers
dc.sourceActa Crystallographica Section B: Structural Science
dc.subjectKeywords: Benzene; Computer simulation; Diffusion; Hydrogen bonds; Least squares approximations; Mathematical models; Monte Carlo methods; X ray scattering; Diffuse scattering; Intermolecular forces; Intermolecular interactions; Quality of fit; Crystal structure
dc.titleDiffuse X-ray scattering from 4,4-dimethoxybenzil, C 16 H 14 O 4 : analysis via automatic refinement of a Monte Carlo model
dc.typeJournal article
local.bibliographicCitation.lastpage769
local.bibliographicCitation.startpage760
local.contributor.affiliationWelberry, Thomas, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationHeerdegen, Aidan, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidWelberry, Thomas, u7500616
local.contributor.authoruidHeerdegen, Aidan, u9115508
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030505 - Physical Organic Chemistry
local.identifier.absfor030606 - Structural Chemistry and Spectroscopy
local.identifier.ariespublicationMigratedxPub18316
local.identifier.citationvolume59
local.identifier.doi10.1107/S0108768103021505
local.identifier.scopusID2-s2.0-2442716710
local.type.statusPublished Version

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